SCHEMBL29964940

SCHEMBL29964940

CN(CC(=O)O)C(=O)[C@@H](N)Cc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
TPH1 P17752 2/20 0.42
SLC7A5 Q01650 2/20 0.41
MAOB P27338 2/20 0.41
DPP4 P27487 4/20 0.40
FAP Q12884 2/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
DPP7 Q9UHL4 2/20 0.40
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
GRB2 P62993 1/20 0.39
SLC15A1 P46059 1/20 0.39
CPA1 P15085 1/20 0.38
RIPK1 Q13546 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30440024 0.87 SLC7A5 (0.58) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL11357126 0.86 ALPI (0.56) SLC7A5MAOBALPIPKMPTGS1
SCHEMBL18171811 0.83 TDP1 (0.44) TDP1TPH1SLC7A5MAOBDPP4
SCHEMBL18171813 0.83 TDP1 (0.44) TDP1TPH1SLC7A5MAOBDPP4
SCHEMBL29965012 0.82 MAOB (0.52) TPH1SLC7A5MAOBDPP4FAP
SCHEMBL24633773 0.81 NR1D1 (0.42) TDP1TPH1SLC7A5MAOBDPP4
SCHEMBL29965205 0.79 PNMT (0.49) TDP1SLC7A5MAOBDPP4DPP7
SCHEMBL25083941 0.76 SLC7A5 (0.56) SLC7A5
SCHEMBL44071 0.76 SLC7A5 (0.69) TDP1TPH1SLC7A5ALPIPKM
SCHEMBL23320242 0.76 SLC7A5 (0.69) TDP1TPH1SLC7A5ALPIPKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4092038-A1 OPIOID AGONIST PEPTIDES AND USES THEREOF Protagonist Therapeutics, Inc. (US) 2022-11-23 EP disclosed